Basic information
- CAS
506-45-6- Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCCCCCCO- InChIKey
IBPVZXPSTLXWCG-UHFFFAOYSA-N- Molecular formula
- C22H44O3
- Average molar mass
- 356.6 g/mol
- Monoisotopic mass
- 356.32904527
Overview
22-hydroxydocosanoic acid is an -hydroxy-long-chain fatty acid obtained by monohydroxylation of the terminal methyl group of docosanoic acid. It has a role as a metabolite. It is functionally related to a docosanoic acid. It is a conjugate acid of a 22-hydroxydocosanoate.
Names & identifiers
- Preferred name
- 22-Hydroxydocosanoic acid
- IUPAC
- 22-hydroxydocosanoic acid
- English name
- 22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid)
- Molecular formula
- C22H44O3
- Molecular weight
- 356.58
Names & synonyms
22-hydroxydocosanoic acid506-45-6Phellonic acid22-hydroxy-docosanoic acidomega-hydroxy behenic acid22-hydroxybehenic acidomega-hydroxybehenic acidomega-hydroxydocosanoic acidCHEBI:76322DTXSID40415255RefChem:89717DTXCID30366106
Show more names
Docosanoic acid, 22-hydroxy-22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid), omega-Hydroxy C22:0 fatty acid
18060-70-3MFCD0225905222-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid)22-?Hydroxydocosanoic AcidPhellonsaureLMFA01050079SCHEMBL150882orb2283082
Database identifiers
- CAS
506-45-6- PubChem CID
- 5282922
- DTXSID
DTXSID40415255- ChEBI
CHEBI:76322- Nikkaji
- J297.196H
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 491.6 · 491.6±18.0 °C(Predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- Chloroform: Soluble
- form
- A solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H341
- Precautionary statements
- 501 · P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H315-H319-H341
- Precautionary statements
- P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
Chemistry & industry
Applications
Description22-hydroxy Docosanoic acid is a hydroxylated fatty acid that has been found in the suberin component of silver birch (B. pendula) outer bark as well as the leaves, roots, and wood of Q. ilex from Cala Violina and Colognole, Italy. [Matreya, LLC. Catalog No. 1818]
Uses22-Hydroxydocosanoic Acid is a lipophilic extract from Acacia dealbata which may be used in improving the hydrophobicity of suberin fatty acids.
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
上海先尔化学科技有限公司021-021-60556752 15800818924 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
10 records
Compound notes
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